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1007-11-0,MFCD13188630
Catalog No.:AA0002KY
1007-11-0 | 6-Chloro-n4,n4-dimethylpyrimidine-2,4-diamine
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Technical Information
Catalog Number:
AA0002KY
Chemical Name:
6-Chloro-n4,n4-dimethylpyrimidine-2,4-diamine
CAS Number:
1007-11-0
Molecular Formula:
C6H9ClN4
Molecular Weight:
172.6155
MDL Number:
MFCD13188630
IUPAC Name:
6-chloro-4-N,4-N-dimethylpyrimidine-2,4-diamine
InChI:
InChI=1S/C6H9ClN4/c1-11(2)5-3-4(7)9-6(8)10-5/h3H,1-2H3,(H2,8,9,10)
InChI Key:
FSSOQNSFFZSKAX-UHFFFAOYSA-N
SMILES:
Clc1cc(nc(n1)N)N(C)C
NSC Number:
72462
Properties
Computed Properties
 
Complexity:
130  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.052g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.616g/mol
Monoisotopic Mass:
172.052g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

Synonyms
 
1007-11-0 
6-chloro-n4,n4-dimethylpyrimidine-2,4-diamine 
SCHEMBL1320790 
KS-00000IRN 
DTXSID20291019 
FSSOQNSFFZSKAX-UHFFFAOYSA-N 
ALBB-012299 
ZINC1698532 
7242AC 
MFCD13188630 
NSC-72462 
AKOS005173696 
6-chloro-N~4~,N~4~-dimethylpyrimidine-2,4-diamine 
DS-3111 
AJ-30367 
AK111697 
AB0157656 
ST2406472 
4CH-017644 
FT-0683537 
Y-7407 
2,4-Pyrimidinediamine, 6-chloro-N4,N4-dimethyl- 
2-Amino-6-chloro-4-(dimethylamino)pyrimidine, 97% 
6-chloro-4-N,4-N-dimethylpyrimidine-2,4-diamine 
I03-1093 
6-chloro-N~4~,N~4~-dimethyl-2,4-pyrimidinediamine 
2,4-pyrimidinediamine, 6-chloro-N~4~,N~4~-dimethyl- 
C6H9ClN4 
AR-1H1468 
CID251735 
109123-80-0 
6-Chloro-N4,N4-dimethyl-2,4-pyrimidinediamine 
NSC72462 
AC1L5KIB 
AC1Q3PT6 
NCIOpen2_000431 
6-chloro-N4,N4-dimethyl-pyrimidine-2,4-diamine 
Literature

Title: 6-Chloro-N(4),N(4)-dimethyl-pyrimidine-2,4-diamine.

Journal: Acta crystallographica. Section E, Structure reports online 20120501

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